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Quantum control of molecular rotation
The angular momentum of molecules, or, equivalently, their rotation in three-dimensional
space, is ideally suited for quantum control. Molecular angular momentum is naturally …
space, is ideally suited for quantum control. Molecular angular momentum is naturally …
Quantum State–Resolved Structure and Dynamics of C60 Fullerenes
LR Liu, J Ye - Annual Review of Physical Chemistry, 2025 - annualreviews.org
The C60 fullerene molecule has been the subject of intense study for four decades, starting
with its identification in the mass spectra of carbon soot in 1985. In this review, we focus on …
with its identification in the mass spectra of carbon soot in 1985. In this review, we focus on …
High-order contact transformations of molecular Hamiltonians: general approach, fast computational algorithm and convergence of ro-vibrational polyad models
The paper describes methods and fast computational algorithm for building effective
Hamiltonians in molecular physics using perturbative approach. Separations of fast and …
Hamiltonians in molecular physics using perturbative approach. Separations of fast and …
Ergodicity breaking in rapidly rotating C60 fullerenes
Ergodicity, the central tenet of statistical mechanics, requires an isolated system to explore
all available phase space constrained by energy and symmetry. Mechanisms for violating …
all available phase space constrained by energy and symmetry. Mechanisms for violating …
Accurate spectroscopic models for methane polyads derived from a potential energy surface using high-order contact transformations
A new spectroscopic model is developed for theoretical predictions of vibration–rotation line
positions and line intensities of the methane molecule. Resonance coupling parameters of …
positions and line intensities of the methane molecule. Resonance coupling parameters of …
First fully ab initio potential energy surface of methane with a spectroscopic accuracy
Full 9-dimensional ab initio potential energy surfaces for the methane molecule are
constructed using extended electronic structure coupled-cluster calculations with various …
constructed using extended electronic structure coupled-cluster calculations with various …
Topological Chern indices in molecular spectra
Topological Chern indices are related to the number of rotational states in each molecular
vibrational band. Modification of the indices is associated to the appearance of “band …
vibrational band. Modification of the indices is associated to the appearance of “band …
Symmetry, invariants, and topology in molecular models
BI Zhilinskiı - Physics Reports, 2001 - Elsevier
Description of intra-molecular dynamical behavior is usually made in terms of effective
Hamiltonians for different degrees of freedom. In such a way, rotational, vibrational …
Hamiltonians for different degrees of freedom. In such a way, rotational, vibrational …
Bifurcations in quantum rotational spectra
IM Pavlichenkov - Physics reports, 1993 - Elsevier
The nonlinear effects in rotational spectra of molecules and atomic nuclei caused by the
centrifugal and Coriolis forces are investigated for high values of angular-momentum …
centrifugal and Coriolis forces are investigated for high values of angular-momentum …
Bifurcation in rotational spectra of nonlinear AB2 molecules
IN Kozin, IM Pavlichenkov - The Journal of chemical physics, 1996 - pubs.aip.org
A classical microscopic theory of rovibrational motion at high angular momenta in
symmetrical nonlinear molecules AB2 is derived within the framework of small oscillations …
symmetrical nonlinear molecules AB2 is derived within the framework of small oscillations …